4-(4-tert-butylphenyl)-6-(2-hydroxyethylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-tert-butylphenyl)-6-(2-hydroxyethylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-6-(2-hydroxyethylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-6-(2-hydroxyethylamino)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-6-(2-hydroxyethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-6-(2-hydroxyethylamino)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCO)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCO)C#N

InChI

InChI=1S/C18H22N4OS/c1-18(2,3)13-7-5-12(6-8-13)15-14(11-19)16(20-9-10-23)22-17(21-15)24-4/h5-8,23H,9-10H2,1-4H3,(H,20,21,22)